2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide - CAS 4815-28-5
Catalog: |
BB026503 |
Product Name: |
2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide |
CAS: |
4815-28-5 |
Synonyms: |
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
IUPAC Name: | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Description: | 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS# 4815-28-5) is a useful research chemical. |
Molecular Weight: | 196.27 |
Molecular Formula: | C9H12N2OS |
Canonical SMILES: | C1CCC2=C(C1)C(=C(S2)N)C(=O)N |
InChI: | InChI=1S/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12) |
InChI Key: | FFAKFORHXDNYEN-UHFFFAOYSA-N |
Boiling Point: | 332.5 °C at 760 mmHg |
Density: | 1.337 g/cm3 |
Appearance: | Yellow powder |
LogP: | 2.58950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020252456-A1 | Nt5c2 inhibitors for the treatment of chemotherapy-resistant acute lymphoblastic leukemia | 20190614 |
WO-2019173437-A1 | Positive allosteric modulators of dopamine 1 receptor and method of use thereof | 20180306 |
EP-3762383-A1 | Positive allosteric modulators of dopamine 1 receptor and method of use thereof | 20180306 |
US-2021040074-A1 | Positive allosteric modulators of dopamine 1 receptor and method of use thereof | 20180306 |
US-2019092742-A1 | Inhibitors of hepatitis b virus targeting capsid assembly | 20170928 |
PMID | Publication Date | Title | Journal |
20547794 | 20100901 | Structure-activity analysis of vinylogous urea inhibitors of human immunodeficiency virus-encoded ribonuclease H | Antimicrobial agents and chemotherapy |
19819046 | 20100101 | Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists | European journal of medicinal chemistry |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.06703418 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.06703418 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 97.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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